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At least 145 records · Page 8

AI-Enhanced Co-Design for Next-Generation Microelectronics: Innovating Innovation (Workshop Report)

On April 6-8, 2021, Sandia National Laboratories hosted a virtual workshop to explore the potential for developing AI-Enhanced Co-Design for Next-Generation Microelectronics (AICoM). The workshop brought together two themes. The first theme was articulated in the 2018 Department of Energy Office of Science (DOE SC) “Basic Research Needs for Microelectronics” (BRN) report, which called for a “fundamental rethinking” of the traditional design approach to microelectronics, in which subject matter experts (SMEs) in each microelectronics discipline (materials, devices, circuits, algorithms, etc.) work near-independently. Instead, the BRN called for a non-hierarchical, egalitarian vision of co-design, wherein “each scientific discipline informs and engages the others” in “parallel but intimately networked efforts to create radically new capabilities.” The second theme was the recognition of the continuing breakthroughs in artificial intelligence (AI) that are currently enhancing and accelerating the solution of traditional design problems in materials science, circuit design, and electronic design automation (EDA).

36 MATERIALS SCIENCE↗

Resilience and economics of microgrids with PV, battery storage, and networked diesel generators

Current designs and assessments of microgrids have ignored component reliability, leading to significant errors in predicting a microgrid’s performance while islanded. Existing life cycle cost studies on hybrid microgrids—which combine photovoltaics (PV), battery storage and networked emergency diesel generators—also have not identified all the potential economic opportunities. Reducing the number of emergency diesel generators through reliance on PV and battery, retail bill savings, and demand response and wholesale market revenue streams are all important. This paper provides a new statistical methodology that calculates the impact of distributed energy reliability and variability on a microgrid’s performance and a novel use of the optimization platform REopt to explore multiple cost savings and revenue streams. We examine the impacts for microgrids in California, Maryland, and New Mexico and show that a hybrid microgrid is a more resilient and cost-effective solution than a diesel-only system. Under realistic conditions, a hybrid microgrid can provide higher system reliability when islanded and have a lower life cycle cost under multiple market conditions than a traditional diesel generator-based system. The improved performance of the hybrid system is resilient to conditions experienced over the last 20 years in solar irradiance and sees little degradation in performance immediately after a hurricane. The cost savings to provide this more resilient backup power system as compared to a diesel-only microgrid are significant. The net present cost for a hybrid microgrid is 19% lower in New Mexico and 35% lower in Maryland than a diesel-only microgrid. In California, the net present cost of the hybrid microgrid is negative because, unlike a diesel-only microgrid, a hybrid microgrid has lower life cycle costs than the power costs without a microgrid.

25 ENERGY STORAGE↗

Flow matching meets biology and life science: a survey

Over the past decade, advances in generative modeling, such as generative adversarial networks, masked autoencoders, and diffusion models, have significantly transformed biological research and discovery, enabling breakthroughs in molecule design, protein generation, catalysis discovery, drug discovery, and beyond. At the same time, biological applications have served as valuable testbeds for evaluating the capabilities of generative models. Recently, flow matching has emerged as a powerful and efficient alternative to diffusion-based generative modeling, with growing interest in its application to problems in biology and life sciences. This paper presents the first comprehensive survey of recent developments in flow matching and its applications in biological domains. We begin by systematically reviewing the foundations and variants of flow matching, and then categorize its applications into three major areas: biological sequence modeling, molecule generation and design, and peptide and protein generation. For each, we provide an in-depth review of recent progress. We also summarize commonly used datasets and software tools, and conclude with a discussion of potential future directions.

59 BASIC BIOLOGICAL SCIENCES↗

Organic Rankine Cycle Integration and Optimization for High Efficiency CHP Genset Systems (Final Technical Report)

This project successfully advanced the integration of Organic Rankine Cycle (ORC) technology with reciprocating engine–based combined heat and power (CHP) systems to improve electrical efficiency, total CHP efficiency, and grid-responsive operation. Over three budget periods, the work progressed from high-temperature ORC component development and thermodynamic model validation to next-generation system design, working fluid transition, and techno-economic analysis. Key technical accomplishments include development and validation of a thermodynamic model capable of accurately predicting ORC performance across an expanded temperature and pressure envelope; successful identification and validation of low-global-warming-potential (GWP) working fluids—most notably R1233zd(E)—as viable replacements for R245fa; and demonstration of scalable ORC architectures suitable for integration with 1–20 MW class reciprocating engines. These advances enable flexible CHP configurations that can increase electrical output while maintaining high overall utilization of available thermal energy. The project also produced a clean-sheet design for a next-generation ORC system targeting substantially higher power output per unit, supported by detailed component selection, heat exchanger evaluation, and system-level modeling. Techno-economic analyses indicate that ORC-enabled flexible CHP systems can meet or exceed Department of Energy (DOE) efficiency targets while providing value to both facility operators and the electric grid.. Late-stage testing of the largest next-generation ORC prototype identified limitations related to pump net positive suction head (NPSH) requirements and condenser flooding under certain operating conditions. Although these issues constrained full validation of that configuration within the project timeframe, they provided clear and actionable design guidance for future system refinements. Importantly, validated modeling, smaller-scale testing, and working fluid evaluations confirmed the technical viability of the overall approach. In aggregate, this project met its core objectives by establishing validated design tools, de-risking key ORC technologies for CHP applications, and defining a credible pathway toward commercialization of flexible, high-efficiency CHP systems. The results form a strong foundation for continued development and deployment beyond the conclusion of the DOE-funded effort.

20 FOSSIL-FUELED POWER PLANTS↗

Aerodynamic Sensitivity of a Novel Data-Driven Airfoil Shape Representation Framework

We explore the aerodynamic implications of a novel data-driven separable shape tensor framework used to represent discrete airfoil shapes. In this study, we construct a data-driven parameter space defined by separable shape tensors and informed by tens of thousands of distinct airfoils. We use this design space to generate new airfoil designs to study parametric sensitivities with respect to various aerodynamic responses. We use a HAM2D RANS solver to approximate the lift, drag, and moment coefficients for the generated airfoils at two different angles-of-attack. We analyze the robustness and sensitivities of using the separable shape tensor design space by examining the coverage of the aerodynamic response space, uncovering low-dimensional polynomial ridge approximations, and computing various sensitivity metrics. The results show that the data-driven design space produce significant variation in target aerodynamic quantities and facilitate highly accurate approximations (R^2 > 0.96) of one- and two-dimensional structures in each aerodynamic response. This further reduces the effective dimension to enable simplified design and optimization tasks.

aerodynamics↗

Advanced IFE Target Designs with Next-Generation Laser Technologies

The project has advanced our understanding and established the technology requirements for laser direct drive (LDD), high-gain target designs for the inertial fusion energy (IFE). These designs are based on novel hot-spot ignition concept, dynamic shell formation, and new laser drivers, broadband lasers, that mitigate detrimental effects of various laser–plasma interaction (LPI) processes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Li-ion battery design through microstructural optimization using generative AI

Lithium-ion batteries are used across various applications, necessitating tailored cell designs to enhance performance. Optimizing electrode manufacturing parameters is a key route to achieving this, as these parameters directly influence the microstructure and performance of the cells. However, linking process parameters to performance is complex, and experimental or modeling campaigns are often slow and expensive. This study introduces a fast computational optimization framework for electrode manufacturing parameters. A generative model, trained on a small dataset of microstructural images associated with different manufacturing parameters, efficiently generates representative microstructures for new parameters. This model is integrated into a Bayesian optimization loop that includes microstructure generation, characterization, and simulation, aiming to find optimal manufacturing parameters for a particular application. Significant improvement in the energy density of a 4680 cell is achieved through bespoke cell design, highlighting the importance of cell-scale normalization. The framework’s modularity allows its application to various advanced materials manufacturing scenarios.

batteries↗

Radiation-Hardened GaN HEMT and Cell Design, Modeling, and Fabrication for Nuclear Instrumentation Applications

Recent advances in nuclear power generation technologies show great promise for efficient, safe generation of carbon-free power in the near future. Consequently, many new generation reactor designs are being pursued by government and industry groups, including both fission- and fusion-based technologies. Radiation- and temperature-tolerant sensor technology continues to advance, yet development of the electronics/instrumentation technologies suitable for these environments have fallen behind. Industry has adequately addressed harsh environment electronics needs for low earth orbit satellites, but the much more extreme conditions associated with electronics placed near or in a reactor core remain unaddressed. This project investigates the use of gallium nitride (GaN) circuit technology to address the unique needs for sensor interface electronics and communications in reactor environments. This report provides a summary of the first year’s project activities related to developing and optimizing devices and circuits for this GaN high electronic mobility transistor (HEMT) process. Activities reported include multiple analog and digital circuit designs simulated using custom Verilog-A models generated from measured GaN devices fabricated in the target process. Digital circuit designs included fundamental logic circuits such as an inverter, NAND, NOR, AND and OR gates, as well as a 5-stage ring oscillator. Each design was simulated using an open-source SPICE simulator, and an integrated circuit layout was produced of each design for use in future fabrication. Analog circuit designs focused on the fundamental building blocks to be used to construct sensor interface and communications circuits. These included current mirrors, matched differential pairs, and a Gilbert cell mixer design, each with an associated integrated circuit layout. Layout tools used for these designs included two open-source packages—KLayout and Magic—which were customized for specific use with the OSU GaN process layers. Design rules and preliminary device extraction capabilities were built for the Magic tool to enable device extraction and subsequent netlist generation for SPICE simulation. Finally, future research directions for year two are summarized. When the year-two directions are implemented, the project will be in position to advance the state of the art in electronics for near- or in-reactor sensor interfacing and communications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Feasibility Analyses for the Microgrid of the Mountain in the Cordillera Central Region of Puerto Rico

Distributed energy resource (DER) development can benefit communities through improvement of access to reliable electricity and a resilient energy system. Many place-specific considerations must be accounted for when designing electrical systems with co-located generation and loads. This paper presents an overview of four studies focusing on different aspects for regional DER development in the Cordillera Central region of Puerto Rico, including a grid and load stability study with the introduction of solar energy generation, microgrid design based on the solar resource in the area, resilience considerations during power outage scenarios, and qualitative risk aspects for components in the microgrid. Additionally, a conceptual substation microgrid analysis is conducted using the Microgrid Design Toolkit (MDT) to evaluate trade-offs between cost and energy availability, providing insights into optimal design strategies. A microgrid resilience assessment is performed using the Resilient Nodal Cluster Analysis Tool (ReNCAT) to identify critical loads and evaluates their accessibility during outages, emphasizing the importance of community needs. Finally, a qualitative risk assessment utilizing Hazard and Operability Analysis (HAZOP) methods highlights potential hazards and mitigations for microgrid components, ensuring robust system design and operation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Phase Field Modeling of Corrosion for Design of Next-Generation Magnesium-Aluminum Vehicle Joints

In this study, WPI and its partners sought to understand galvanic corrosion in Mg-Al friction stir weld (FSW) joints. Unlike fusion welds, FSW is done in the solid state. This limits (but does not eliminate) the formation of brittle Al-Mg intermetallics, resulting in better joint strength and corrosion resistance. This study aimed to understand corrosion behavior of Mg-Al FSW joints by using a Cahn-Hilliard phase field electrochemistry model based on the work of Pongsaksawad et al. Its context challenge problem was an ultra-light door designed by Magna with 6061-Al sheet outer and ZEK100-Mg sheet inner panels, joined by an adhesive and FSW. Unlike most FSW joints, which weld through the softer material into the harder one, the Al sheet’s hem joint around Mg required the FSW tool to through the harder Al into the softer Mg, which was itself a challenge. Despite this challenge, PNNL succeeded in consistently making very strong FSW lap joints, by using a triflute tool and power control. Characterization showed mostly separate Al and Mg regions in the weld, usually with a hook protruding from Al into Mg, which likely contributed to high joint strength. Nanohardness mapping showed higher hardness in thin Mg swirls into the Al nugget, likely due to the intermetallics. The study used the industry standard SAE J2334 Cyclic Corrosion Test (CCT) to simulate corrosion conditions over the life of a vehicle, as well as linear polarization testing and ASTM G71 pitting corrosion testing. Corrosion reactions were: H 2 O + ½O 2 + 2e - → 2OH - at the Al cathode, and either Mg → Mg 2+ + 2e - or Mg + 2OH - → Mg(OH) 2 + 2e - at the Mg anode, with electron transfer through the joint. Mass loss increased with Al section length, supporting the hypothesis that galvanic corrosion in Al-Mg joints is limited by the cathodic reaction. Both pitting corrosion (first anode reaction) and hydroxide film formation (second reaction) were observed. The J2334 CCT test method was slightly modified, adding a chromium solution cleaning step after each week of corrosion testing, in order to remove Mg oxides and hydroxides and accurately measure mass loss over time. That said, FSW joints treated in this way did not did not exhibit significant reduction in lap shear strength of the joints vs. newly welded samples which had not undergone corrosion. Corrosion appeared to consist mainly of pitting in Mg in a way which did not directly affect the bond between the materials where the joints failed. A Cahn-Hilliard phase field model coupled with electrical potential described the electronically mediated galvanic corrosion electrochemical reactions described above in the four-component Al-Mg-H 2 O-(H 2 O+½O 2 ) system. This 2-D model successfully predicted Mg(OH)₂ formation at the anode in some circumstances, and Mg pitting corrosion in others, and showed the correct electric field directions in both cases. The model predicted Mg pit corrosion depth within a factor of two of measured pits.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Conceptual Design of Pulverized Coal Electricity Generating Units for Flexible Operation

This National Energy Technology Laboratory (NETL) study addresses the conceptual design of greenfield pulverized coal (PC) plants intended for flexible rather than high capacity factor baseload operation. The United States has plentiful, low-cost natural gas resources - studies of aggressive decarbonization scenarios of the US energy sector suggest that the variability of carbon-free power can be economically addressed using dispatchable natural gas-fueled generation. Globally, natural gas resources are not as plentiful or low cost; consequently, some regions of the world are anticipated to continue to rely upon coal generation, even as they pursue decarbonization efforts. To support the increased utilization of variable renewable generation in these coal-dependent regions, plant designs must target low-capacity factor coal plants with increased emphasis on flexibility attributes such as start-up times, ramp rates, minimum load, and part-load heat rates. While much work has been performed on the improvement of the flexibility for existing coal plants originally designed for baseload service, little public literature exists on clean sheet design for flexible operation. This conceptual design study aims to define the features, performance characteristics, and costs for greenfield coal plants intended for flexible operation. Quantifying these characteristics provides critical information required by utility owners, grid planners, energy market modelers, and energy policy decision makers in coal-dependent regions of the world to better understand how coal-fired power plants can support a transition to low carbon generation.

20 FOSSIL-FUELED POWER PLANTS↗

Core Design of the Holos-Quad Microreactor

The Holos-Quad micro-reactor concept, developed by HolosGen LLC, is equipped with a 22 MWt (Mega-Watt thermal) core and an integral power conversion system converting the core thermal energy into approximately 10 MWe (Mega-Watt electric). This design can be configured to support a wide range of applications. It is a very innovative high-temperature gas-cooled reactor concept using TRI-structural ISOtropic particle fuel (TRISO) distributed in graphite hexagonal blocks, cooled with helium in a direct Brayton cycle independently executed by four Subcritical Power Modules (SPMs) fitted into a hardened 40-foot container whose dimensions are in compliance with ISO shipping containers requirements. In FY2019 HolosGen LLC was awarded by the Department of Energy Advanced Research Project Agency-Energy (DOE ARPA-E) under the MEITNER funding program. As part of the MEITNER award, the Argonne National Laboratory (ANL) contributed expertise through two specialized teams: The “Design Team” and the “Resource Team”. The Design Team was dedicated to validate feasibility of the Holos-Quad core and to optimize its core design through neutronics analyses. The Resource Team was dedicated to feasibility verification via high-fidelity codes of Holos-Quad thermal-hydraulic, heat transfer, shielding, and structural aspects. This report summarizes the activities conducted by ANL Design Team. A rigorous design approach based on multi-criteria optimization and code-to-code comparison involving stochastic and high-fidelity deterministic solutions was developed and employed at several evolutionary stages of the Holos-Quad design. Several generations of the Holos-Quad core were designed within this project before converging to the current full-scale Gen 2+ design that is detailed in this report. Figure EA-1 illustrates a cross-sectional view of Gen 2+ Holos-Quad core configuration, and Figure EA-2 provides a simplified perspective view of 1-of-4 SPMs. The Holos-Quad uses four thermal-hydraulically independent SPMs locked into stationary positions during power operation, surrounded by BeO reflector and structural component fully comprised within the dimensional constraints represented by traditional ISO containers. One of the benefits of this approach is to enable transportation of each SPM promptly after irradiation in shielded containers. The core is designed to operate for approximately 8 full-power years while the reactivity controls and power conversion system enable load-following operations. The reactivity controls are represented by independent, diversified, and redundant reactivity control systems based on control drums and redundant sets of shutdown rods. The high-fidelity simulation tools were used to assess detailed power and flux distributions of the three-dimensional full-core or quarter-core of the Gen 2+ configuration. Single-physics and multi-physics simulations of the neutronics code PROTEUS and the thermal-hydraulic code System Analysis Module (SAM) were performed to analyze the Holos design configurations with detailed high-fidelity solutions. The design work performed confirmed feasibility of the Holos-Quad concept, provided realistic design description for detailed design of the operational system, and identified several core design improvements to be further considered for future reactor development activities.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗